General Information of the Compound
| Compound ID |
CP0849259
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| Compound Name |
4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-butyl ester 5-methyl ester
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| Formula |
C35H47N5O6
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| Molecular Weight |
633.79
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| Canonical SMILES |
CCCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1
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| InChI |
InChI=1S/C35H47N5O6/c1-6-7-22-46-34(42)31-25(3)37-24(2)30(33(41)45-5)32(31)26-12-10-13-27(23-26)38-35(43)36-16-11-17-39-18-20-40(21-19-39)28-14-8-9-15-29(28)44-4/h8-10,12-15,23,32,42H,6-7,11,16-22H2,1-5H3,(H2,36,38,43)/b34-31+
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| InChIKey |
PGEFKDAJUTWFED-WUVHBKSUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound